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	hartrees
Energy at 0K	-491.340593
Energy at 298.15K	-491.344326
HF Energy	-491.340593
Nuclear repulsion energy	94.774524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3596	3561	32.00	160.23	0.61	0.75
2	A'	3460	3426	32.58	274.52	0.17	0.29
3	A'	3008	2979	31.68	172.66	0.33	0.50
4	A'	1606	1591	243.74	4.41	0.49	0.66
5	A'	1444	1430	156.46	0.37	0.10	0.18
6	A'	1311	1298	36.54	3.38	0.72	0.84
7	A'	1119	1108	20.24	16.82	0.50	0.66
8	A'	884	876	13.13	11.44	0.24	0.39
9	A'	430	426	2.39	3.28	0.75	0.86
10	A"	914	905	44.49	0.53	0.75	0.86
11	A"	636	630	11.77	2.47	0.75	0.86
12	A"	404	400	227.91	1.79	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.638
S2	-0.771	-0.806
N3	1.320	0.819
H4	-0.562	1.587
H5	1.930	0.001
H6	1.735	1.748

	C1	S2	N3	H4	H5	H6
C1		1.6370	1.3323	1.1033	2.0322	2.0598
S2	1.6370		2.6484	2.4023	2.8193	3.5783
N3	1.3323	2.6484		2.0327	1.0202	1.0174
H4	1.1033	2.4023	2.0327		2.9538	2.3027
H5	2.0322	2.8193	1.0202	2.9538		1.7574
H6	2.0598	3.5783	1.0174	2.3027	1.7574

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.909	C1	N3	H6	121.895
S2	C1	N3	125.926	S2	C1	H4	121.260
H5	N3	H6	119.196

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: SVWN/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.213
2	S	-0.133
3	N	-0.659
4	H	0.243
5	H	0.390
6	H	0.373

	x	y	z	Total
	3.405	3.117	0.000	4.617
CHELPG
AIM
ESP

	x	y	z
x	6.686	2.353	0.000
y	2.353	7.024	0.000
z	0.000	0.000	2.521

<r²>	67.109
(<r²>)^1/2	8.192

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: SVWN/6-311G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)